2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide

C22H36N2O7S — CID 67309167

About 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide

2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 67309167) has the molecular formula C22H36N2O7S and a molecular weight of 472.60 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
• PubChem CID: 67309167
• Molecular Formula: C22H36N2O7S
• Molecular Weight: 472.60 g/mol
• Exact Mass: 472.22
• IUPAC Name: 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
• SMILES: CC(O[C@H]1CCCCO1)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
• InChI: InChI=1S/C22H36N2O7S/c1-15(30-19-8-6-7-11-29-19)21(2,3)17-14-18(31-24-17)23-20(25)22(4,5)32(26,27)16-9-12-28-13-10-16/h14-16,19H,6-13H2,1-5H3,(H,23,25)/t15?,19-/m0/s1
• InChIKey: DGEXWIZIOAZRFO-FUBQLUNQSA-N
• XLogP: 3.19
• TPSA: 116.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.60
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?

The IUPAC name of 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide (CID 67309167) is 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide.

What is the SMILES notation for 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?

The canonical SMILES for 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide is CC(O[C@H]1CCCCO1)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.

What is the InChIKey of 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?

The InChIKey is DGEXWIZIOAZRFO-FUBQLUNQSA-N. The full InChI is InChI=1S/C22H36N2O7S/c1-15(30-19-8-6-7-11-29-19)21(2,3)17-14-18(31-24-17)23-20(25)22(4,5)32(26,27)16-9-12-28-13-10-16/h14-16,19H,6-13H2,1-5H3,(H,23,25)/t15?,19-/m0/s1.

What are the key properties of 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide?

2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 472.60 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 67309167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).